Vitas-M small molecule compound
3-({(5Z)-5-[4-(carboxymethoxy)-3-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
Catalog ID
STK215702
SMILES COc1cc(ccc1OCC(=O)O)/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H17NO8S MW 443.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO8S/c1-29-16-8-12(5-6-15(16)30-11-18(23)24)9-17-19(25)22(21(28)31-17)10-13-3-2-4-14(7-13)20(26)27/h2-9H,10-11H2,1H3,(H,23,24)(H,26,27)/b17-9-InChIKey
KCHKLKYRGUUEPI-MFOYZWKCSA-NSynonyms
3(((5Z)5((4(carboxymethoxy)3methoxyphenyl)methylidene)24dioxo13thiazolidin3yl)methyl)benzoicacid
3(((5Z)5((4(CARBOXYMETHYLOXY)3METHOXYPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)METHYL)BENZOICACID
3(((5Z)5(4(CARBOXYMETHOXY)3METHOXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C(=O)O)OCC(=O)O
COc1cc(ccc1OCC(=O)O)C=C1SC(=O)N(C1=O)Cc1cccc(c1)C(=O)O
InChI=1SC21H17NO8Sc12916812(5615(16)301118(23)24)91719(25)22(21(28)3117)101332414(713)20(26)27h29H1011H21H3(H2324)(H2627)b179
MFCD06290467
ZINC000010059352
ZINC10059352
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